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Endo-BCN-PEG2-acid

CAT: 0804-HY-130557-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130557-01Size:5 mg
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Description
Endo-BCN-PEG2-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs. endo-BCN-PEG2-acid is a click chemistry reagent, it contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
1993134-72-7
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/endo-bcn-peg2-acid.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCNC(OC[C@@H]1[C@@]2([H])CCC#CCC[C@@]12[H])=O
Molecular Formula
C18H27NO6
Molecular Weight
353.41
Precautions
H302, H315, H319, H335
References & Citations
[1]Sano K, et al. Short PEG-linkers improve the performance of targeted, activatable monoclonal antibody-indocyanine green optical imaging probes. Bioconjug Chem. 2013 May 15;24 (5) :811-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

endo-BCN-PEG2-acid
CAS Number1993134-72-7
PubChem CID75412403
IUPAC Name3-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]propanoic acid
Molecular FormulaC18H27NO6
Molecular Weight353.4
XLogP1.5
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCC(=O)O)CCC#C1
InChI
InChI=1S/C18H27NO6/c20-17(21)7-9-23-11-12-24-10-8-19-18(22)25-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,19,22)(H,20,21)/t14-,15+,16?
InChIKey
IAUAMLUNAMJRHF-XYPWUTKMSA-N
Chemical Structure
2D Structure
2D structure of endo-BCN-PEG2-acid
CAS: 1993134-72-7
CID: 75412403
Formula: C18H27NO6
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass353.18383758
Monoisotopic Mass353.18383758
Topological Polar Surface Area94.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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